methyl 2-[(6-ethoxypyrimidin-4-yl)amino]-3-hydroxypropanoate

C10H15N3O4 — CID 66320574

IUPACmethyl 2-[(6-ethoxypyrimidin-4-yl)amino]-3-hydroxypropanoate
SMILESCCOc1cc(NC(CO)C(=O)OC)ncn1
InChIInChI=1S/C10H15N3O4/c1-3-17-9-4-8(11-6-12-9)13-7(5-14)10(15)16-2/h4,6-7,14H,3,5H2,1-2H3,(H,11,12,13)
InChIKeyPSQDGNWVAASHFF-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.18
Rot. Bonds6

About methyl 2-[(6-ethoxypyrimidin-4-yl)amino]-3-hydroxypropanoate

methyl 2-[(6-ethoxypyrimidin-4-yl)amino]-3-hydroxypropanoate (PubChem CID 66320574) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is methyl 2-[(6-ethoxypyrimidin-4-yl)amino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-[(6-ethoxypyrimidin-4-yl)amino]-3-hydroxypropanoate
PubChem CID66320574
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Namemethyl 2-[(6-ethoxypyrimidin-4-yl)amino]-3-hydroxypropanoate
SMILESCCOc1cc(NC(CO)C(=O)OC)ncn1
InChIInChI=1S/C10H15N3O4/c1-3-17-9-4-8(11-6-12-9)13-7(5-14)10(15)16-2/h4,6-7,14H,3,5H2,1-2H3,(H,11,12,13)
InChIKeyPSQDGNWVAASHFF-UHFFFAOYSA-N
XLogP-0.18
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-ethoxypyrimidin-4-yl)amino]-3-hydroxypropanoate?
The IUPAC name of methyl 2-[(6-ethoxypyrimidin-4-yl)amino]-3-hydroxypropanoate (CID 66320574) is methyl 2-[(6-ethoxypyrimidin-4-yl)amino]-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-[(6-ethoxypyrimidin-4-yl)amino]-3-hydroxypropanoate?
The canonical SMILES for methyl 2-[(6-ethoxypyrimidin-4-yl)amino]-3-hydroxypropanoate is CCOc1cc(NC(CO)C(=O)OC)ncn1.
What is the InChIKey of methyl 2-[(6-ethoxypyrimidin-4-yl)amino]-3-hydroxypropanoate?
The InChIKey is PSQDGNWVAASHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-3-17-9-4-8(11-6-12-9)13-7(5-14)10(15)16-2/h4,6-7,14H,3,5H2,1-2H3,(H,11,12,13).
What are the key properties of methyl 2-[(6-ethoxypyrimidin-4-yl)amino]-3-hydroxypropanoate?
methyl 2-[(6-ethoxypyrimidin-4-yl)amino]-3-hydroxypropanoate has a molecular weight of 241.25 g/mol, XLogP of -0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-ethoxypyrimidin-4-yl)amino]-3-hydroxypropanoate is sourced from PubChem (CID 66320574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).